(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide

C15H16N2OS2 — CID 94837836

IUPAC(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESCc1ccsc1/C=N\NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C15H16N2OS2/c1-11-8-9-19-14(11)10-16-17-15(18)12(2)20-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)/b16-10-/t12-/m1/s1
InChIKeyNUXAQUMKYIRKDL-YUSFRKCESA-N
MW304.44 g/mol
LogP3.69
Rot. Bonds5

About (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide

(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide (PubChem CID 94837836) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
PubChem CID94837836
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
SMILESCc1ccsc1/C=N\NC(=O)[C@@H](C)Sc1ccccc1
InChIInChI=1S/C15H16N2OS2/c1-11-8-9-19-14(11)10-16-17-15(18)12(2)20-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)/b16-10-/t12-/m1/s1
InChIKeyNUXAQUMKYIRKDL-YUSFRKCESA-N
XLogP3.69
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 126127045
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]propanamide
CID 94837853
(2S)-N-[(Z)-benzylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 126128248
(2S)-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40529974
(2R)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylpropanamide
CID 137065289
(2R)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 136754632
3-methyl-N-[(3-methylthiophen-2-yl)methylideneamino]butanamide
CID 3481612
2-hydroxy-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2,2-diphenylacetamide
CID 6259909
(2S)-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40592405
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
N,N'-bis[(Z)-(3-methylthiophen-2-yl)methylideneamino]butanediamide
CID 6385345
(2R)-N-[(Z)-[2,5-dimethyl-1-(2-methylphenyl)pyrrol-3-yl]methylideneamino]-2-phenylsulfanylpropanamide
CID 92850830

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide (CID 94837836) is (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide is Cc1ccsc1/C=N\NC(=O)[C@@H](C)Sc1ccccc1.
What is the InChIKey of (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide?
The InChIKey is NUXAQUMKYIRKDL-YUSFRKCESA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-11-8-9-19-14(11)10-16-17-15(18)12(2)20-13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)/b16-10-/t12-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide?
(2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide has a molecular weight of 304.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 94837836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).